Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-1.3192 4.6957 -1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4780 4.2220 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 3.4359 0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4649 2.1093 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6036 1.2213 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2381 1.5500 -1.2723 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 -0.1716 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4548 0.0258 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2402 -1.2052 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -2.3114 -0.1546 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6189 -1.2351 0.0792 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3619 -2.4382 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8021 -2.0646 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1867 -0.7997 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6335 -0.8387 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1126 -0.8870 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 -1.4232 1.8902 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 -0.3931 -0.1131 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2403 -0.4146 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8782 -1.7263 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2495 -2.8806 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 -0.8620 -1.3815 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 5.2698 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3820 4.5267 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5812 4.3992 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 3.2856 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8365 3.9334 1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7584 0.6874 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6485 0.6532 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0697 -3.0961 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2957 -2.9767 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5690 -2.8404 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4740 0.0246 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2310 -0.5564 0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3413 -0.3057 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2571 -1.8601 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7228 0.1618 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5151 0.1996 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9682 -1.7337 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1914 -3.0182 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8622 -3.7976 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 -0.5652 -2.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers